HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=105",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-chemical_system&page=103",
"results": [
{
"id": "oqmd-349679",
"created_at": "2022-09-04T14:51:06.085773Z",
"updated_at": "2022-09-04T14:51:06.085795Z",
"structure_string": "U1 Zn3\n1.0\n4.231545 0.000000 0.000000\n0.000000 4.233885 0.000000\n0.000000 0.000000 4.231545\nU Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.499999 0.499999 0.000000 Zn\n0.499999 0.000000 0.499999 Zn\n0.000000 0.499999 0.499999 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 9.511693560794228,
"density_atomic": 0.05276221342284872,
"volume": 75.81183086355882,
"volume_molar": 11.41373791834159,
"formula_full": "U1 Zn3",
"formula_reduced": "UZn3",
"formula_anonymous": "AB3",
"formation_energy": 0.32763585875,
"spacegroup": 221
},
{
"id": "oqmd-1231270",
"created_at": "2022-09-04T15:39:29.127646Z",
"updated_at": "2022-09-04T15:39:29.127685Z",
"structure_string": "U1 Zn1\n1.0\n2.884924 -0.000000 0.000000\n-1.442462 2.498361 0.000000\n0.000000 0.000000 5.235293\nU Zn\n1 1\ndirect\n0.666667 0.333335 0.750000 U\n0.333332 0.666665 0.249999 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 13.3532928880344,
"density_atomic": 0.05300287588260803,
"volume": 37.733801547479146,
"volume_molar": 11.361913216441263,
"formula_full": "U1 Zn1",
"formula_reduced": "UZn",
"formula_anonymous": "AB",
"formation_energy": 0.117453422500001,
"spacegroup": 187
},
{
"id": "oqmd-760607",
"created_at": "2022-09-04T15:22:18.610160Z",
"updated_at": "2022-09-04T15:22:18.610183Z",
"structure_string": "U2 Zn6\n1.0\n5.429505 -3.139019 0.000000\n-0.003713 6.271610 0.000000\n0.000000 0.000000 4.361590\nU Zn\n2 6\ndirect\n0.000000 0.000000 0.000000 U\n0.333383 0.666619 0.500001 U\n0.517096 0.034242 0.000000 Zn\n0.517156 0.482854 0.000000 Zn\n0.965757 0.482895 0.000000 Zn\n0.367726 0.183824 0.500001 Zn\n0.816132 0.183861 0.500001 Zn\n0.816186 0.632277 0.500001 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 9.713805116253688,
"density_atomic": 0.053883344266290815,
"volume": 148.4688841966471,
"volume_molar": 11.176256488904356,
"formula_full": "U2 Zn6",
"formula_reduced": "UZn3",
"formula_anonymous": "AB3",
"formation_energy": 0.16383263375,
"spacegroup": 194
},
{
"id": "oqmd-760614",
"created_at": "2022-09-04T15:24:53.234597Z",
"updated_at": "2022-09-04T15:24:53.234629Z",
"structure_string": "U6 Zn6\n1.0\n5.484049 0.006421 0.000000\n0.010381 8.761379 0.000000\n0.000000 0.000000 4.694158\nU Zn\n6 6\ndirect\n0.578932 0.173448 0.000000 U\n0.077895 0.993261 0.000000 U\n0.813947 0.184681 0.500002 U\n0.785556 0.481653 0.500002 U\n0.287065 0.685323 0.500002 U\n0.313288 0.981961 0.500002 U\n0.061540 0.349926 0.000000 Zn\n0.455662 0.508370 0.000000 Zn\n0.957023 0.658019 0.000000 Zn\n0.562082 0.816458 0.000000 Zn\n0.303291 0.332035 0.500002 Zn\n0.803655 0.834861 0.500002 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 13.404150375430111,
"density_atomic": 0.053204743175922,
"volume": 225.5438008660597,
"volume_molar": 11.318804303006845,
"formula_full": "U6 Zn6",
"formula_reduced": "UZn",
"formula_anonymous": "AB",
"formation_energy": 0.1240946625,
"spacegroup": 26
},
{
"id": "oqmd-760613",
"created_at": "2022-09-04T15:22:48.340681Z",
"updated_at": "2022-09-04T15:22:48.340700Z",
"structure_string": "U8 Zn16\n1.0\n4.851858 11.203438 0.000000\n-5.855465 6.045391 0.000000\n0.000000 0.000000 4.506852\nU Zn\n8 16\ndirect\n0.014044 0.007313 0.000000 U\n0.804988 0.228258 0.000000 U\n0.387737 0.320508 0.000000 U\n0.885545 0.832873 0.000000 U\n0.806581 0.040935 0.500001 U\n0.389547 0.132843 0.500001 U\n0.180485 0.353783 0.500001 U\n0.308834 0.528462 0.500001 U\n0.627133 0.046615 0.000000 Zn\n0.229570 0.105642 0.000000 Zn\n0.995726 0.406163 0.000000 Zn\n0.541210 0.528462 0.000000 Zn\n0.137789 0.603450 0.000000 Zn\n0.727227 0.628861 0.000000 Zn\n0.310237 0.768162 0.000000 Zn\n0.491109 0.881669 0.000000 Zn\n0.964972 0.255414 0.500001 Zn\n0.567213 0.314546 0.500001 Zn\n0.703311 0.479277 0.500001 Zn\n0.884211 0.592839 0.500001 Zn\n0.467176 0.732321 0.500001 Zn\n0.056605 0.757535 0.500001 Zn\n0.653319 0.832447 0.500001 Zn\n0.198746 0.954797 0.500001 Zn\n",
"nsites": 24,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 11.452387208031038,
"density_atomic": 0.05609472598966884,
"volume": 427.8477089703614,
"volume_molar": 10.73566303026263,
"formula_full": "U8 Zn16",
"formula_reduced": "UZn2",
"formula_anonymous": "AB2",
"formation_energy": 0.077159095833333,
"spacegroup": 11
},
{
"id": "oqmd-760618",
"created_at": "2022-09-04T15:22:18.688545Z",
"updated_at": "2022-09-04T15:22:18.688576Z",
"structure_string": "U4 Zn4\n1.0\n4.715482 0.000000 0.000000\n0.000000 6.867982 0.000000\n0.000000 0.000000 4.610050\nU Zn\n4 4\ndirect\n0.931722 0.000000 0.000000 U\n0.432656 0.000000 0.499999 U\n0.891476 0.229939 0.499999 U\n0.891476 0.770060 0.499999 U\n0.428811 0.293457 0.000000 Zn\n0.941503 0.500001 0.000000 Zn\n0.428811 0.706542 0.000000 Zn\n0.386887 0.500001 0.499999 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 13.49951145731722,
"density_atomic": 0.053583257421784374,
"volume": 149.30036703493852,
"volume_molar": 11.238847822550795,
"formula_full": "U4 Zn4",
"formula_reduced": "UZn",
"formula_anonymous": "AB",
"formation_energy": 0.1332886525,
"spacegroup": 25
},
{
"id": "oqmd-17377",
"created_at": "2022-09-04T15:15:50.494724Z",
"updated_at": "2022-09-04T15:15:50.494752Z",
"structure_string": "U2 Zn17\n1.0\n-4.469334 2.580371 4.373624\n0.000000 5.160742 -4.373624\n-4.469334 -2.580371 -4.373624\nU Zn\n2 17\ndirect\n0.662489 0.337511 0.337510 U\n0.337510 0.662490 0.662489 U\n0.500000 0.000000 0.000000 Zn\n0.898843 0.101157 0.101156 Zn\n0.353281 0.646718 0.160547 Zn\n0.000000 0.702624 0.297375 Zn\n0.297375 0.000000 0.297375 Zn\n0.646719 0.839453 0.353280 Zn\n0.160548 0.353281 0.353281 Zn\n0.000000 0.000000 0.500000 Zn\n0.353280 0.160547 0.646719 Zn\n0.839453 0.646718 0.646719 Zn\n0.000000 0.297376 0.702624 Zn\n0.702624 0.000000 0.702624 Zn\n0.646720 0.353281 0.839453 Zn\n0.101156 0.898843 0.898843 Zn\n0.297376 0.297376 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.702624 0.702624 0.000000 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 8.713344729181989,
"density_atomic": 0.06278211510459102,
"volume": 302.63395822754944,
"volume_molar": 9.592127869485594,
"formula_full": "U2 Zn17",
"formula_reduced": "U2Zn17",
"formula_anonymous": "A2B17",
"formation_energy": -0.0527726615789475,
"spacegroup": 166
},
{
"id": "oqmd-760602",
"created_at": "2022-09-04T15:22:17.967131Z",
"updated_at": "2022-09-04T15:22:17.967158Z",
"structure_string": "U4 Zn4\n1.0\n10.746820 0.000000 0.000000\n0.000000 2.763580 0.000000\n0.000000 0.000000 4.762773\nU Zn\n4 4\ndirect\n0.537902 0.000000 0.000000 U\n0.267229 0.500000 0.000000 U\n0.649463 0.000000 0.500001 U\n0.378789 0.500000 0.500001 U\n0.004195 0.000000 0.000000 Zn\n0.791574 0.500000 0.000000 Zn\n0.125080 0.000000 0.500001 Zn\n0.912464 0.500000 0.500001 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 14.248430498386462,
"density_atomic": 0.05655592216543607,
"volume": 141.45291410152566,
"volume_molar": 10.648116995394705,
"formula_full": "U4 Zn4",
"formula_reduced": "UZn",
"formula_anonymous": "AB",
"formation_energy": -0.0066170249999997,
"spacegroup": 59
},
{
"id": "oqmd-339292",
"created_at": "2022-09-04T15:04:27.863240Z",
"updated_at": "2022-09-04T15:04:27.863266Z",
"structure_string": "U1 Zn1\n1.0\n1.976538 1.976538 0.000000\n0.000000 3.953076 0.000000\n0.000000 0.000000 4.646194\nU Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500001 0.500001 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 13.87973786235247,
"density_atomic": 0.05509248013728643,
"volume": 36.30259510946224,
"volume_molar": 10.930966885123459,
"formula_full": "U1 Zn1",
"formula_reduced": "UZn",
"formula_anonymous": "AB",
"formation_energy": 0.164257477500001,
"spacegroup": 123
},
{
"id": "oqmd-760595",
"created_at": "2022-09-04T15:22:37.888525Z",
"updated_at": "2022-09-04T15:22:37.888544Z",
"structure_string": "U5 Zn5\n1.0\n2.677485 4.639681 0.000000\n-5.026700 5.996593 0.000000\n0.000000 0.000000 4.799205\nU Zn\n5 5\ndirect\n0.762026 0.426925 0.000000 U\n0.187466 0.600620 0.000000 U\n0.590731 0.772865 0.000000 U\n0.479801 0.424352 0.499997 U\n0.303312 0.774990 0.499997 U\n0.963993 0.013253 0.000000 Zn\n0.376571 0.187197 0.000000 Zn\n0.690046 0.000648 0.499997 Zn\n0.090844 0.199452 0.499997 Zn\n0.888385 0.599701 0.499997 Zn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 13.331075464274923,
"density_atomic": 0.052914688844112816,
"volume": 188.98344143079242,
"volume_molar": 11.380848856054477,
"formula_full": "U5 Zn5",
"formula_reduced": "UZn",
"formula_anonymous": "AB",
"formation_energy": 0.234301904500001,
"spacegroup": 38
},
{
"id": "oqmd-304109",
"created_at": "2022-09-04T14:49:52.704745Z",
"updated_at": "2022-09-04T14:49:52.704767Z",
"structure_string": "U3 Zn1\n1.0\n-2.174036 2.174036 4.108090\n2.174036 -2.174036 4.108090\n2.174036 2.174036 -4.108090\nU Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 U\n0.749999 0.250001 0.499999 U\n0.250001 0.749999 0.499999 U\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 16.66592543654375,
"density_atomic": 0.05150229567477669,
"volume": 77.66644083710243,
"volume_molar": 11.692955976231076,
"formula_full": "U3 Zn1",
"formula_reduced": "U3Zn",
"formula_anonymous": "AB3",
"formation_energy": 0.21189719875,
"spacegroup": 139
},
{
"id": "oqmd-760603",
"created_at": "2022-09-04T15:22:57.848238Z",
"updated_at": "2022-09-04T15:22:57.848269Z",
"structure_string": "U6 Zn8\n1.0\n5.423168 6.263714 0.000000\n-2.711627 7.829731 0.000000\n0.000000 0.000000 4.386884\nU Zn\n6 8\ndirect\n0.160670 0.260619 0.000000 U\n0.292729 0.590513 0.000000 U\n0.832182 0.720930 0.000000 U\n0.361579 0.121235 0.500000 U\n0.692674 0.659127 0.500000 U\n0.231318 0.791284 0.500000 U\n0.965123 0.010976 0.000000 Zn\n0.582381 0.166336 0.000000 Zn\n0.737807 0.393536 0.000000 Zn\n0.428941 0.857393 0.000000 Zn\n0.941142 0.214067 0.500000 Zn\n0.558518 0.369721 0.500000 Zn\n0.095667 0.524017 0.500000 Zn\n0.785831 0.986815 0.500000 Zn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 12.425699996407566,
"density_atomic": 0.053683816622812595,
"volume": 260.7862272230993,
"volume_molar": 11.217795490048912,
"formula_full": "U6 Zn8",
"formula_reduced": "U3Zn4",
"formula_anonymous": "A3B4",
"formation_energy": 0.156531515714286,
"spacegroup": 176
}
]
}